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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1797687
CHEMBL1797687
Compound Name
ChEMBL Synonyms (-)-Bremazocine
Max Phase 0
Trade Names
Molecular Formula C20H29NO2

Additional synonyms for CHEMBL1797687 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCC12CCN(CC3(O)CC3)[C@H](Cc4ccc(O)cc14)C2(C)C
Standard InChI InChI=1S/C20H29NO2/c1-4-20-9-10-21(13-19(23)7-8-19)17(18(20, ...
Download InChI
Standard InChI Key ZDXGFIXMPOUDFF-DIAVIDTQSA-N

Sources

  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1797687

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
315.5 315.2198 3.44 3 43.7 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 3 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.12 9.14 3.22 1.43 1 23 0.9

Structural Alerts

There are no structural alerts for CHEMBL1797687

Compound Cross References

ChemSpider ChemSpider:ZDXGFIXMPOUDFF-DIAVIDTQSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1797687



BindingDB 50347177
Nikkaji J18.646E
PubChem 107697

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/ZDXGFIXMPOUDFF-DIAVIDTQSA-N spacer
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